SCHEMBL4694331

SCHEMBL4694331

Cc1cc(C)c(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
LMNA P02545 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4690401 0.94 TP53 (0.47) TP53LMNAALDH1A1TSHRHTT
SCHEMBL3281859 0.92 CCR5 (0.52) TP53LMNAALDH1A1TSHRHTT
SCHEMBL4692326 0.91 CCR5 (0.51) LMNAALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL4692756 0.89 KMT2A (0.44) TP53LMNAALDH1A1TSHRHTT
SCHEMBL4690733 0.88 HCRTR1 (0.46) TP53KMT2AHPGDPOLBL3MBTL1
SCHEMBL3283591 0.87 CCL5 (0.51)
SCHEMBL4694813 0.87 CYP1A2 (0.48) TP53LMNAALDH1A1TSHRHTT
SCHEMBL4694785 0.87 KMT2A (0.48) TP53LMNAALDH1A1KMT2AMAPK1
SCHEMBL4693007 0.87 HTT (0.43) TP53ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL4695934 0.87 HCRTR1 (0.47) TP53LMNAALDH1A1TSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed